N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide

C22H19ClN4O — CID 53111242

IUPACN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21
InChIInChI=1S/C22H19ClN4O/c1-14-5-3-4-6-17(14)13-27-21-10-8-16(11-20(21)25-26-27)22(28)24-19-12-18(23)9-7-15(19)2/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyIUTBJLWFLZBZID-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.00
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111242) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111242
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21
InChIInChI=1S/C22H19ClN4O/c1-14-5-3-4-6-17(14)13-27-21-10-8-16(11-20(21)25-26-27)22(28)24-19-12-18(23)9-7-15(19)2/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyIUTBJLWFLZBZID-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111228
1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
CID 53111293
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
N-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111252
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide
CID 53111524
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
CID 53111281
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111242) is N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide is Cc1ccccc1Cn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is IUTBJLWFLZBZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14-5-3-4-6-17(14)13-27-21-10-8-16(11-20(21)25-26-27)22(28)24-19-12-18(23)9-7-15(19)2/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).